N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide

C21H25N5O2S2 — CID 130241708

IUPACN-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide
SMILESCN/C=C\c1ccccc1-c1nc(N2CCOCC2)c2sc(CNS(C)=O)cc2n1
InChIInChI=1S/C21H25N5O2S2/c1-22-8-7-15-5-3-4-6-17(15)20-24-18-13-16(14-23-30(2)27)29-19(18)21(25-20)26-9-11-28-12-10-26/h3-8,13,22-23H,9-12,14H2,1-2H3/b8-7-
InChIKeyIGXJXKMIKDKQGD-FPLPWBNLSA-N
MW443.60 g/mol
LogP2.77
Rot. Bonds7

About N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide

N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide (PubChem CID 130241708) has the molecular formula C21H25N5O2S2 and a molecular weight of 443.60 g/mol. Its IUPAC name is N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide.

Molecular Properties

Compound NameN-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide
PubChem CID130241708
Molecular FormulaC21H25N5O2S2
Molecular Weight443.60 g/mol
Exact Mass443.14
IUPAC NameN-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide
SMILESCN/C=C\c1ccccc1-c1nc(N2CCOCC2)c2sc(CNS(C)=O)cc2n1
InChIInChI=1S/C21H25N5O2S2/c1-22-8-7-15-5-3-4-6-17(15)20-24-18-13-16(14-23-30(2)27)29-19(18)21(25-20)26-9-11-28-12-10-26/h3-8,13,22-23H,9-12,14H2,1-2H3/b8-7-
InChIKeyIGXJXKMIKDKQGD-FPLPWBNLSA-N
XLogP2.77
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.60
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[2-(2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-N-methylformamide
CID 143572370
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfonamide
CID 59592859
1-[2-(2,4-dimethoxypyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
CID 118928401
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-methylsulfonylethanamine
CID 59593057
N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrazolo[5,4-c]pyridin-4-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
CID 24969577
N-methyl-1-[4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]methanamine
CID 59592837
[2-amino-6-[4-morpholin-4-yl-6-[[(4-morpholin-4-ylcyclohex-2-en-1-yl)amino]methyl]thieno[3,2-d]pyrimidin-2-yl]phenyl]methylideneazanium
CID 143572242
N-[[2-(1H-indazol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]pyridine-3-carboxamide
CID 59592942
N-[[2-(3-amino-2-methanimidoylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]-2-(3-methoxyphenyl)acetamide
CID 130242036
2-methanimidoyl-3-[4-morpholin-4-yl-6-[(4-morpholin-4-ylsulfinylpiperazin-1-yl)methyl]thieno[3,2-d]pyrimidin-2-yl]aniline
CID 143572141
N-[(5E)-6-[2-[2-[(Z)-hydrazinylidenemethyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]hepta-1,5-dien-3-yn-2-yl]-2-hydroxypropanamide
CID 130241284
N-(dimethylsulfamoyl)-1-[2-(1H-indol-4-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-methylmethanamine
CID 67189129

Frequently Asked Questions

What is the IUPAC name of N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide?
The IUPAC name of N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide (CID 130241708) is N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide.
What is the SMILES notation for N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide?
The canonical SMILES for N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide is CN/C=C\c1ccccc1-c1nc(N2CCOCC2)c2sc(CNS(C)=O)cc2n1.
What is the InChIKey of N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide?
The InChIKey is IGXJXKMIKDKQGD-FPLPWBNLSA-N. The full InChI is InChI=1S/C21H25N5O2S2/c1-22-8-7-15-5-3-4-6-17(15)20-24-18-13-16(14-23-30(2)27)29-19(18)21(25-20)26-9-11-28-12-10-26/h3-8,13,22-23H,9-12,14H2,1-2H3/b8-7-.
What are the key properties of N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide?
N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide has a molecular weight of 443.60 g/mol, XLogP of 2.77, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[2-[(Z)-2-(methylamino)ethenyl]phenyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]methanesulfinamide is sourced from PubChem (CID 130241708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).